! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
O    2.5620437579  -2.5784126684   0.3168144800
O    2.4846666530  -0.9716762308  -1.2338251770
O    2.1627929451   1.0043347884   1.0933430215
O   -0.0321952493   2.6380987438  -0.9902564925
N    0.8649023770  -1.1869039569   0.4056248767
N    0.3097126105   0.0525920300   0.2279905335
C    0.8133440997  -1.8646660985   1.6902888311
C   -1.0980049647   0.0790676673  -0.0137347753
C    1.7134926173  -3.0487561113   1.3775314225
C   -1.9679511758   0.3508058476   1.0452138572
C   -1.5695628695  -0.2188005561  -1.2985277811
C    2.0115630584  -1.5110524915  -0.2673132284
C    1.0607198071   1.1368483865   0.5970459914
C   -3.3381664464   0.3605850983   0.7836058811
C   -2.9411695724  -0.2055658125  -1.5125468335
C   -1.5190160143   0.6353614104   2.4498336354
C   -0.6479570525  -0.5711374329  -2.4239268203
C   -3.8219332902   0.0888014557  -0.4812962722
C    0.4594613010   2.5076732791   0.3136231726
C    0.9965139395   2.7095504635  -1.9561809464
H   -0.1979728023  -2.1774520583   1.9425954516
H    1.2099763408  -1.2404849755   2.4934919528
H    2.3341127561  -3.3495822830   2.2166354754
H    1.1473221449  -3.9073939625   1.0168494567
H   -4.0264360110   0.5767010087   1.5915215250
H   -3.3246988321  -0.4219752859  -2.5018730496
H   -1.7724640566   1.6564962150   2.7391884525
H   -2.0312722239  -0.0265525086   3.1485937834
H   -0.4528320483   0.5095732548   2.6186123396
H   -0.3609550592  -1.6240662276  -2.3807748193
H   -1.1391188550  -0.4123853112  -3.3828619288
H    0.2700202828   0.0101701468  -2.4151907327
H   -4.8877810355   0.1015524340  -0.6677859308
H    1.2398669944   3.2452207166   0.5333763136
H   -0.3644069815   2.6998425747   1.0052461674
H    0.5255101754   2.8092208993  -2.9324399537
H    1.6274019494   1.8143099732  -1.9716004639
H    1.6444370111   3.5771944859  -1.7914733606
*